3-[tert-butyl(diphenyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine

C28H33F4NO2Si — CID 140879066

About 3-[tert-butyl(diphenyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine

3-[tert-butyl(diphenyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine (PubChem CID 140879066) has the molecular formula C28H33F4NO2Si and a molecular weight of 519.66 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: 3-[tert-butyl(diphenyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine
• PubChem CID: 140879066
• Molecular Formula: C28H33F4NO2Si
• Molecular Weight: 519.66 g/mol
• Exact Mass: 519.22
• IUPAC Name: 3-[tert-butyl(diphenyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine
• SMILES: CC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(N)c1ccc(OC(F)(F)F)c(F)c1
• InChI: InChI=1S/C28H33F4NO2Si/c1-26(2,3)36(21-12-8-6-9-13-21,22-14-10-7-11-15-22)34-19-27(4,5)25(33)20-16-17-24(23(29)18-20)35-28(30,31)32/h6-18,25H,19,33H2,1-5H3
• InChIKey: RGFLVOPTHAUMLJ-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 44.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.66
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine?

The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine (CID 140879066) is 3-[tert-butyl(diphenyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine.

What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine?

The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine is CC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(N)c1ccc(OC(F)(F)F)c(F)c1.

What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine?

The InChIKey is RGFLVOPTHAUMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F4NO2Si/c1-26(2,3)36(21-12-8-6-9-13-21,22-14-10-7-11-15-22)34-19-27(4,5)25(33)20-16-17-24(23(29)18-20)35-28(30,31)32/h6-18,25H,19,33H2,1-5H3.

What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine?

3-[tert-butyl(diphenyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine has a molecular weight of 519.66 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[tert-butyl(diphenyl)silyl]oxy-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 140879066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).